Enoch, S.J.; Cronin, M.T.D.; Schultz, T.W.; Madden, J.C. An evaluation of global QSAR models for the prediction of the toxicity of phenols to Tetrahymena pyriformis. Chemosphere 2008, 71, 7, 1225–1232.

138 compounds | Property pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mol)] i

ID	Name	pIGC50	Details
1	4-hydroxyphenylacetic acid	-1.5	View
2	3-hydroxybenzyl alcohol	-1.04	View
3	4-Hydroxybenzoic acid	-1.02	View
4	3-hydroxy-4-methoxybenzyl alcohol	-0.99	View
5	4-hydroxy-3-methoxybenzylamine	-0.97	View
6	4-hydroxyphenethyl alcohol	-0.83	View
7	3-hydroxybenzoic acid	-0.81	View
8	4-hydroxybenzamide	-0.78	View
9	4-hydroxy-3-methoxybenzyl alcohol	-0.7	View
10	2,6-dimethoxyphenol	-0.6	View
11	2,4,6-tris(dimethylaminomethyl)phenol	-0.52	View
12	salicylic acid	-0.51	View
13	2-methoxyphenol	-0.51	View
14	5-methylbenzene-1,3-diol	-0.39	View
15	2-(4-hydroxyphenyl)acetonitrile	-0.38	View
16	1-(3-hydroxyphenyl)ethanone	-0.38	View
17	2-ethoxyphenol	-0.36	View
18	1-(4-hydroxyphenyl)ethanone	-0.3	View
19	3-ethoxy-4-methoxyphenol	-0.3	View
20	2-methylphenol	-0.3	View
21	2-hydroxybenzamide	-0.24	View
22	phenol	-0.21	View
23	4-methylphenol	-0.18	View
24	4-hydroxy-3-methoxyphenethyl alcohol	-0.18	View
25	N-(3-hydroxyphenyl)acetamide	-0.16	View
26	3-hydroxy-4-methoxybenzaldehyde	-0.14	View
27	1-(4-hydroxy-3-methoxyphenyl)ethanone	-0.12	View
28	3,5-dimethoxyphenol	-0.09	View
29	2-hydroxyethyl salicylate	-0.08	View
30	3-methylphenol	-0.06	View
31	methyl-3-hydroxybenzoate	-0.05	View
32	4-hydroxy-3-methoxybenzaldehyde	-0.03	View
33	4-hydroxy-3-methoxybenzonitrile	-0.03	View
34	3-ethoxy-4-hydroxybenzaldehyde	0.02	View
35	4-fluorophenol	0.02	View
36	2-cyanophenol	0.03	View
37	5-fluoro-2-hydroxyacetophenone	0.04	View
38	2,4-dimethylphenol	0.07	View
39	2-tert-butyl-4,6-dimethylphenol	0.08	View
40	2,5-dimethylphenol	0.08	View
41	methyl-4-hydroxybenzoate	0.08	View
42	3,5-dimethylphenol	0.11	View
43	3'-hydroxypropiophenone	0.12	View
44	2,3-dimethylphenol	0.12	View
45	3,4-dimethylphenol	0.12	View
46	2-ethylphenol	0.16	View
47	syringaldehyde	0.17	View
48	salicylhydrazide	0.18	View
49	2-chlorophenol	0.18	View
50	4-hydroxy-2-methylacetophenone	0.19	View
51	4-ethylphenol	0.21	View
52	3-ethylphenol	0.23	View
53	salicylaldoxime	0.25	View
54	2,3,6-trimethylphenol	0.28	View
55	2,4,6-trimethylphenol	0.28	View
56	2-hydroxy-5-methylacetophenone	0.31	View
57	2-bromophenol	0.33	View
58	5-bromo-2-hydroxybenzyl alcohol	0.34	View
59	2,3,5-trimethylphenol	0.36	View
60	2-hydroxy-3-methoxybenzaldehyde	0.38	View
61	salicylhydroxamic acid	0.38	View
62	2-chloro-5-methylphenol	0.39	View
63	2-methoxy-4-prop-2-enylphenol	0.42	View
64	2-hydroxybenzaldehyde	0.42	View
65	2,6-difluorophenol	0.47	View
66	ethyl-3-hydroxybenzoate	0.48	View
67	4-cyanophenol	0.52	View
68	4-propyloxyphenol	0.52	View
69	4-chlorophenol	0.55	View
70	ethyl-4-hydroxybenzoate	0.57	View
71	5-methyl-2-nitrophenol	0.59	View
72	2-bromo-4-methylphenol	0.6	View
73	2,4-difluorophenol	0.6	View
74	3-isopropylphenol	0.61	View
75	5-bromovanillin	0.62	View
76	alpha,alpha,alpha-trifluoro-p-cresol	0.62	View
77	methyl-4-methoxysalicylate	0.62	View
78	4-bromophenol	0.68	View
79	2-chloro-4,5-dimethylphenol	0.69	View
80	4-butoxyphenol	0.7	View
81	4-chloro-2-methylphenol	0.7	View
82	3-tert-butylphenol	0.73	View
83	2,6-dichlorophenol	0.74	View
84	2-methoxy-4-propenylphenol	0.75	View
85	3-chloro-5-methoxyphenol	0.76	View
86	4-chloro-3-methylphenol	0.8	View
87	2-isopropylphenol	0.8	View
88	2,6-dichloro-4-fluorophenol	0.8	View
89	4-iodophenol	0.85	View
90	2,2'-biphenol	0.88	View
91	4-tert-butylphenol	0.91	View
92	3,4,5-trimethylphenol	0.93	View
93	2,2',4,4'-tetrahydroxybenzophenone	0.96	View
94	4-sec-butylphenol	0.98	View
95	3-hydroxydiphenylamine	1.01	View
96	4-hydroxybenzophenone	1.02	View
97	2,4-dichlorophenol	1.04	View
98	2,4,6-tribromoresorcinol	1.06	View
99	1-(4-hydroxyphenyl)-2-phenylethanone	1.07	View
100	4-chloro-3-ethylphenol	1.08	View
101	2-phenylphenol	1.09	View
102	2,5-dichlorophenol	1.13	View
103	3-chloro-4-fluorophenol	1.13	View
104	3-bromophenol	1.15	View
105	6-tert-butyl-2,4-dimethylphenol	1.16	View
106	4-chloro-3,5-dimethylphenol	1.2	View
107	2-hydroxybenzophenone	1.23	View
108	4-tert-pentylphenol	1.23	View
109	4-bromo-3,5-dimethylphenol	1.27	View
110	4-bromo-6-chloro-o-cresol	1.28	View
111	p-cyclopentylphenol	1.29	View
112	2-tert-butylphenol	1.3	View
113	2-tert-butyl-4-methylphenol	1.3	View
114	2-hydroxydiphenylmethane	1.31	View
115	butyl-4-hydroxybenzoate	1.33	View
116	3-phenylphenol	1.35	View
117	4-pentoxyphenol	1.36	View
118	2,4-dibromophenol	1.4	View
119	2,4,6-trichlorophenol	1.41	View
120	2-hydroxy-4-methoxybenzophenone	1.42	View
121	isoamyl-4-hydroxybenzoate	1.48	View
122	3,5-dichlorosalicylaldehyde	1.55	View
123	4-cyclohexylphenol	1.56	View
124	3,5-dichlorophenol	1.57	View
125	3,5-di-tert-butylphenol	1.64	View
126	3,5-dibromosalicylaldehyde	1.64	View
127	3,4-dichlorophenol	1.75	View
128	4-bromo-2,6-dichlorophenol	1.78	View
129	2,6-ditert-butyl-4-methylphenol	1.8	View
130	4-chloro-2-isopropyl-5-methylphenol	1.85	View
131	2,4,6-tribromophenol	2.03	View
132	4-heptyloxyphenol	2.03	View
133	4-tert-octylphenol	2.1	View
134	4-(4-bromophenyl)phenol	2.31	View
135	3,5-diiodosalicylaldehyde	2.34	View
136	2,3,5-trichlorophenol	2.37	View
137	4-nonylphenol	2.47	View
138	nonyl-4-hydroxybenzoate	2.63	View

Bibliography

Enoch, S. J.; Cronin, M. T. D.; Schultz, T. W.; Madden, J. C. An evaluation of global QSAR models for the prediction of the toxicity of phenols to Tetrahymena pyriformis. Chemosphere 2008, 71, 1225–1232. https://doi.org/10.1016/j.chemosphere.2007.12.011

10967/126 - QDB Compounds

QsarDB Repository

Enoch, S.J.; Cronin, M.T.D.; Schultz, T.W.; Madden, J.C. An evaluation of global QSAR models for the prediction of the toxicity of phenols to Tetrahymena pyriformis. Chemosphere 2008, 71, 7, 1225–1232.

Bibliography

Search

Browse

All of QsarDB

This Collection

My Account